J042-0497 Screening compound: 1-(3-chlorobenzoyl)-N-cyclopentyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0497 Screening compound: 1-(3-chlorobenzoyl)-N-cyclopentyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0497 Screening compound: 1-(3-chlorobenzoyl)-N-cyclopentyl-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0497
1-(3-chlorobenzoyl)-N-cyclopentyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J042-0497

Molecular Formula

C22H23ClN2O2 (C22 H23 ClN2 O2)

Compound Name

1-(3-chlorobenzoyl)-N-cyclopentyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

1-(3-chlorobenzoyl)-N-cyclopentyl-1234-tetrahydroquinoline-6-carboxamide

SMILES

O=C(c(cc1)cc(CCC2)c1N2C(c1cccc(Cl)c1)=O)NC1CCCC1

InChI

InChI=1S/C22H23ClN2O2/c23-18-7-3-5-17(14-18)22(27)25-12-4-6-15-13-16(10-11-20(15)25)21(26)24-19-8-1-2-9-19/h3,5,7,10-11,13-14,19H,1-2,4,6,8-9,12H2,(H,24,26)

InChI Key

PUVCQPWVQXOCEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.467

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.65

Polar Surface Area

40.056

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

J042-0497 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with J042-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0497?
Check Price and Availability of J042-0497, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J042-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0497
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of J042-0497 available by request